11,13-dimethyl-1,4,7,10-tetrazacyclotrideca-10,13-diene

C11H22N4 — CID 71413761

IUPAC11,13-dimethyl-1,4,7,10-tetrazacyclotrideca-10,13-diene
SMILESC/C1=N/CCNCCNCC/N=C(/C)C1
InChIInChI=1S/C11H22N4/c1-10-9-11(2)15-8-6-13-4-3-12-5-7-14-10/h12-13H,3-9H2,1-2H3/b14-10-,15-11-
InChIKeyWIJZXQTWIKXZPR-HYQBVQLESA-N
MW210.32 g/mol
LogP0.49
Rot. Bonds

About 11,13-dimethyl-1,4,7,10-tetrazacyclotrideca-10,13-diene

11,13-dimethyl-1,4,7,10-tetrazacyclotrideca-10,13-diene (PubChem CID 71413761) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is 11,13-dimethyl-1,4,7,10-tetrazacyclotrideca-10,13-diene.

Molecular Properties

Compound Name11,13-dimethyl-1,4,7,10-tetrazacyclotrideca-10,13-diene
PubChem CID71413761
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC Name11,13-dimethyl-1,4,7,10-tetrazacyclotrideca-10,13-diene
SMILESC/C1=N/CCNCCNCC/N=C(/C)C1
InChIInChI=1S/C11H22N4/c1-10-9-11(2)15-8-6-13-4-3-12-5-7-14-10/h12-13H,3-9H2,1-2H3/b14-10-,15-11-
InChIKeyWIJZXQTWIKXZPR-HYQBVQLESA-N
XLogP0.49
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 11,13-dimethyl-1,4,7,10-tetrazacyclotrideca-10,13-diene?
The IUPAC name of 11,13-dimethyl-1,4,7,10-tetrazacyclotrideca-10,13-diene (CID 71413761) is 11,13-dimethyl-1,4,7,10-tetrazacyclotrideca-10,13-diene.
What is the SMILES notation for 11,13-dimethyl-1,4,7,10-tetrazacyclotrideca-10,13-diene?
The canonical SMILES for 11,13-dimethyl-1,4,7,10-tetrazacyclotrideca-10,13-diene is C/C1=N/CCNCCNCC/N=C(/C)C1.
What is the InChIKey of 11,13-dimethyl-1,4,7,10-tetrazacyclotrideca-10,13-diene?
The InChIKey is WIJZXQTWIKXZPR-HYQBVQLESA-N. The full InChI is InChI=1S/C11H22N4/c1-10-9-11(2)15-8-6-13-4-3-12-5-7-14-10/h12-13H,3-9H2,1-2H3/b14-10-,15-11-.
What are the key properties of 11,13-dimethyl-1,4,7,10-tetrazacyclotrideca-10,13-diene?
11,13-dimethyl-1,4,7,10-tetrazacyclotrideca-10,13-diene has a molecular weight of 210.32 g/mol, XLogP of 0.49, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11,13-dimethyl-1,4,7,10-tetrazacyclotrideca-10,13-diene is sourced from PubChem (CID 71413761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).